Exact Mass: 382.2872
Exact Mass Matches: 382.2872
Found 437 metabolites which its exact mass value is equals to given mass value 382.2872,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
7-Dehydrodesmosterol
7-dehydrodesmosterol, also known as cholesta-5,7,24-trien-3beta-ol or 24-dehydroprovitamin d3, belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. Thus, 7-dehydrodesmosterol is considered to be a sterol lipid molecule. 7-dehydrodesmosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7-dehydrodesmosterol can be found in a number of food items such as nectarine, orange bell pepper, cinnamon, and carrot, which makes 7-dehydrodesmosterol a potential biomarker for the consumption of these food products. In humans, 7-dehydrodesmosterol is involved in several metabolic pathways, some of which include atorvastatin action pathway, simvastatin action pathway, pamidronate action pathway, and steroid biosynthesis. 7-dehydrodesmosterol is also involved in several metabolic disorders, some of which include mevalonic aciduria, wolman disease, chondrodysplasia punctata II, X linked dominant (CDPX2), and hyper-igd syndrome. 7-Dehydrodesmosterol is a sterol intermediate in the biosynthesis of steroids. 7-Dehydrodesmosterol is a substrate of the enzyme 24-dehydrocholesterol reductase (EC:1.3.1.72), an important enzyme in the biosynthesis of Cholesterol. Cholesterol is synthesized from either Lathosterol, 7-Dehydrocholesterol, Desmosterol or Cholestenol by the enzyme 3beta-hydroxysterol delta7 reductase (EC 1.3.1.21, Dhcr7). The Smith-Lemli-Opitz syndrome (SLOS, OMIM 270400) is caused by a genetic defect in cholesterol biosynthesis; mutations in the enzyme 3beta-hydroxysterol delta7 reductase lead to a failure of cholesterol synthesis, with an accumulation of precursor sterols, such as 7-Dehydrodesmosterol. SLOS results in craniofacial, limb as well as major organ defects, including the brain. In individuals with this syndrome, mental retardation, as well as other CNS dysfunction, is almost 100\\% prevalent. (PMID: 15862627, 17197219).
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
Misoprostol
Misoprostol is only found in individuals that have used or taken this drug. It is a synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties. [PubChem]Misoprostol seems to inhibit gastric acid secretion by a direct action on the parietal cells through binding to the prostaglandin receptor. The activity of this receptor is mediated by G proteins which normally activate adenylate cyclase. The indirect inhibition of adenylate cyclase by Misoprostol may be dependent on guanosine-5’-triphosphate (GTP). The significant cytoprotective actions of misoprostol are related to several mechanisms. These include: 1. Increased secretion of bicarbonate, 2. Considerable decrease in the volume and pepsin content of the gastric secretions, 3. It prevents harmful agents from disrupting the tight junctions between the epithelial cells which stops the subsequent back diffusion of H+ ions into the gastric mucosa, 4. Increased thickness of mucus layer, 5. Enhanced mucosal blood flow as a result of direct vasodilatation, 6. Stabilization of tissue lysozymes/vascular endothelium, 7. Improvement of mucosal regeneration capacity, and 8. Replacement of prostaglandins that have been depleted as a result of various insults to the area. Misoprostol has also been shown to increase the amplitude and frequency of uterine contractions during pregnancy via selective binding to the EP-2/EP-3 prostanoid receptors. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BB - Prostaglandins G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
Cholesta-4,6-dien-3-one
Cholesta-4,6-dien-3-one is a product of the oxidation of cholesteral. It may be metabolized to 4-cholesten-3-one and cholestanol by liver, adrenals and brain. An accumulation of cholesta-4,6-dien-3-one is found in serum of patients with cerebrotendinous xanthomatosis, and it is possible that accumulation of cholesterol in these patients is secondary to accumulation of cholesta-4,6-dien-3-one (PMID: 3557306; 16757819; 3676336) [HMDB] Cholesta-4,6-dien-3-one is a product of the oxidation of cholesteral. It may be metabolized to 4-cholesten-3-one and cholestanol by liver, adrenals and brain. An accumulation of cholesta-4,6-dien-3-one is found in serum of patients with cerebrotendinous xanthomatosis, and it is possible that accumulation of cholesterol in these patients is secondary to accumulation of cholesta-4,6-dien-3-one (PMID: 3557306; 16757819; 3676336).
Apo-12'-violaxanthal
Apo-12-violaxanthal is found in fruits. Apo-12-violaxanthal is isolated from plums Prunus domestic Isolated from plums Prunus domestica. Apo-12-violaxanthal is found in fruits.
Lepidiumterpenyl ester
Lepidiumterpenyl ester is found in brassicas. Lepidiumterpenyl ester is a constituent of Lepidium sativum (garden cress). Constituent of Lepidium sativum (garden cress). Lepidiumterpenyl ester is found in brassicas.
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is isolated from rice bra Isolated from rice bran. (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols D018977 - Micronutrients > D014815 - Vitamins
5a-Cholesta-8,24-dien-3-one
5a-Cholesta-8,24-dien-3-one is an intermediate in the cholesterol synthesis pathway, the by-product of the Sterol-4-alpha-carboxylate 3-dehydrogenase enzyme [EC 1.1.1.70], and the substrate of the 3-keto-steroid reductase enzyme [EC 1.1.1.270]. (BioCyc, ExPASy) [HMDB] 5a-Cholesta-8,24-dien-3-one is an intermediate in the cholesterol synthesis pathway, the by-product of the Sterol-4-alpha-carboxylate 3-dehydrogenase enzyme [EC 1.1.1.70], and the substrate of the 3-keto-steroid reductase enzyme [EC 1.1.1.270]. (BioCyc, ExPASy).
MG(0:0/20:2(11Z,14Z)/0:0)
MG(0:0/20:2(11Z,14Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(0:0/20:2(11Z,14Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(20:2(11Z,14Z)/0:0/0:0)
MG(20:2(11Z,14Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
Persenone B
Persenone B is found in fruits. Persenone B is a constituent of the fruit of Persea americana (avocado) Constituent of the fruit of Persea americana (avocado). Persenone B is found in fruits.
(11R,16S)-misoprostol
13,14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha
14-Epi-19-nortachysterol
Carboprost methyl
CHOLESTA-3,5-DIEN-7-ONE
Cholesta-5,7,9(11)-trien-3beta-ol
Levonorgestrel butyrate
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
delta-5,7,22-Cholestatrienol
Delta-5,7,22-cholestatrienol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-5,7,22-cholestatrienol can be found in cardamom, which makes delta-5,7,22-cholestatrienol a potential biomarker for the consumption of this food product.
5alpha-cholesta-8,24-dien-3-one
5alpha-cholesta-8,24-dien-3-one, also known as zymosterone, belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. Thus, 5alpha-cholesta-8,24-dien-3-one is considered to be a sterol lipid molecule. 5alpha-cholesta-8,24-dien-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-cholesta-8,24-dien-3-one can be found in a number of food items such as cloudberry, welsh onion, oil-seed camellia, and loquat, which makes 5alpha-cholesta-8,24-dien-3-one a potential biomarker for the consumption of these food products. 5alpha-cholesta-8,24-dien-3-one may be a unique S.cerevisiae (yeast) metabolite. 5α-cholesta-8,24-dien-3-one, also known as zymosterone, belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. Thus, 5α-cholesta-8,24-dien-3-one is considered to be a sterol lipid molecule. 5α-cholesta-8,24-dien-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5α-cholesta-8,24-dien-3-one can be found in a number of food items such as cloudberry, welsh onion, oil-seed camellia, and loquat, which makes 5α-cholesta-8,24-dien-3-one a potential biomarker for the consumption of these food products. 5α-cholesta-8,24-dien-3-one may be a unique S.cerevisiae (yeast) metabolite.
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
methyl 9-trimethylsilyloxy-10,12-E,E-octadecadienoate|Methyldimorphecolat
(10S)-3c-Hydroxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(14tH)-2.3.4.10.12.13.14.15.16.17-decahydro-1H-cyclopenta[a]phenanthren|cholesta-5,7,9(11)-trien-3-beta-ol|cholesta-5,7,9(11)-trien-3-ol|cholesta-5,7,9(11)-trien-3beta-ol|cholestatrien-(5.7.9(11))-ol-(3beta)|cholestatrienol|Delta5,7,9-cholestatrien-3beta-ol
3-anhydro-ophiobolin A|3-anhydroorphiobolin A|ophiobolin I
(3R*,4S*,5R*)-4-Acetoxy-3-hexadecyldihydro-5-methyl-2(3H)-furanone
rel-(3R,5S)-5-{(1R,5Z,9E)-5-[(acetyloxy)methyl]-11-hydroxy-1,9-dimethylundeca-5,9-dien-1-yl}tetrahydro-2,2-dimethylfuran-3-ol
(20R)-22E-cholesta-4,22-dien-3-one|(22E)-cholest-4,22-dien-3-one|(22E)-Cholesta-4, 22-dieo-3-one|4,22-cholestadien-3-one|Cholesta-4,22t-dien-3-on|cholesta-4,22t-dien-3-one
(5aS,5bR,7aS,11aS,11bR,13S,13aS,13bR)-5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-13-hydroxy-5b,8,8,11a,13a-pentamethyl-3H-cyclopenta[a]chrysen-3-one|24-oxo-24-homoscalara-16,25(26)-dien-12alpha-ol|phyllofenone D
1,4-Dihydroxy-2-tetraprenylbenzol|2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzenediol|2-<(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-1,4-hydroquinone|2-<(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>benzene-1,4-diol|2-Tetraprenyl-1,4-benzenediol|2-tetraprenyl-1,4-hydroquinone|2-tetraprenylbenzene-1,4-diol|geranylgeranyl-1,4-hydroquinone|geranylgeranylhydroquinone
13-trimethylsiloxy 9,11-octadecadienoic methyl ester
3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-furan-5-one
(22E)-11beta-hydroxy-24-norcholesta-1,4,22-trien-3-one
2,24-Cholestadien-3-on|4,24-cholestadien-3-one|cholesta-4,24-dien-3-one
(2E,6Z,12S,13E)-7-[(acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,13-triene-1,12,15-triol
(22E)-cholesta-5,7,22-trien-3beta-ol|cholesta-5,7,22-trien-3beta-ol|cholesta-5,7,22-trienol|cholesta-5,7,22E-trien-3beta-ol|ergosterol
3beta-Cholest-5-en-23-yn-3-ol|Cholest-5-en-23-in-3beta-ol|cholest-5-en-23-yn-3beta-ol|cholesta-5-ene-23-yne-3beta-ol
methyl (20R,22E)-3-oxochola-1,4,22-trien-24-oate|methyl 3-oxochola-1,4,22-trien-24-oate
Estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate
6alpha-(4-O-methyl-7E-coumaryloxy)eudesm-4(14)-ene
1,4,5,2-tetrahydroxy-1-[10(Z)-heptadecenyl]-2-cyclohexene
(20S,22E)-20-hydroxy-24-norcholesta-1,4,22-trien-3-one
12beta-hydroxy-24-norcholesta-1,4,22-trien-3-one|24-norcholesta-1,4,22-trien-12beta-ol-3-one
(2E,6Z,12R,14S)-7-[(acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,15-triene-1,12,14-triol
1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol|3-(2-hydroxy-14-phenyltetradecyl)phenol
7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al
17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peramivir Trihydrate
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
(9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
24,25-didehydrovitamin D3 / 24,25-didehydrocholecalciferol
Unoprostone
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78568 - Prostaglandin Analogue
Apo-12'-violaxanthal
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
dodecyl 2-methylprop-2-enoate,2-methylidenehexanoic acid
9-Octadecenoic acid (Z)-, (2-hydroxy-1,3,2-dioxaborolan-4-yl)methylester
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)quinolin-4-yl]methanol
Carboprost methylate
Urea, N-cyclohexyl-N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]- (9CI)
(2E,4E,6E,8E)-BUTYL 9-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENOATE
Bunamidine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(1S,2S,5R)-Methyl 3-((S)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
Methyl (8β,11α,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
1,1-Biphenyl, 4-[(trans,trans)-4-ethyl[1,1-bicyclohexyl]-4-yl]-3,4-difluoro-
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] acetate
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
Quingestrone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C389 - Oral Contraceptive
(11R,16S)-misoprostol
D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics
Allyl octadecyl oxalate
A diester obtained by the formal condensation of both the carboxy group of oxalic acid with the hydroxy groups of allyl alcohol and stearyl alcohol respectively. Metabolite observed in cancer metabolism.
Misoprostol
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BB - Prostaglandins G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
5,18-Dihydroxy-1,4,8,12,16,16-hexamethyltetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),3,5,8-tetraen-10-one
2-[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]benzene-1,4-diol
24,25-didehydrovitamin D3/24,25-didehydrocholecalciferol
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
26,27-Dehydrozymosterol
A cholestanoid that zymosterol in which the two methyl groups at positions 26 and 27 have been replaced by a cyclopropane ring.
4,9,13,17,21-Pentamethyldocosa-4,6,8,12,16,20-hexaenal
(3E,5E,7E,9E,11E,13E)-14-[(1R,4R)-4-hydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,8,12-trimethyltetradeca-3,5,7,9,11,13-hexaenal
methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
3-[(E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-3-en-1-ol
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
[3-carboxy-2-[(5E,7E,9E)-3-hydroxytetradeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E,12E)-3-hydroxytetradeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E,11E)-3-hydroxytetradeca-7,9,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E,12E)-3-hydroxytetradeca-8,10,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E,10E)-3-hydroxytetradeca-6,8,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-3-hydroxytetradeca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,8E)-3-hydroxytetradeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,10E,12E)-3-hydroxytetradeca-4,10,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,10E)-3-hydroxytetradeca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-pentadeca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,12E)-pentadeca-5,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E)-pentadeca-10,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-pentadeca-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-pentadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-pentadeca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[3-(3,4-dimethyl-5-pentylfuran-2-yl)propanoyloxy]propyl]-trimethylazanium
[(3E,5E)-2-(carboxymethyl)-2-hydroxyoctadeca-3,5-dienyl]-trimethylazanium
1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester
1-[4-[2,4-Bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium
2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
(9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
2-[(2R,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
1-[(2R,3R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]propan-1-one
2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
1-[(2S,3S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]propan-1-one
[3-carboxy-2-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
All-cis-5,8,11,14,17,20,23-hexacosaheptaenoic acid
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] butanoate
[1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl] acetate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] propanoate
2,3-dihydroxypropyl (11Z,14Z)-icosa-11,14-dienoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
[(2S)-2,3-dihydroxypropyl] (11E,14E)-icosa-11,14-dienoate
[(2S)-2,3-dihydroxypropyl] (5E,8E)-icosa-5,8-dienoate
7-Dehydrodesmosterol
A 3beta-sterol having the structure of desmosterol with an extra double bond at C-7--C-8.
Tocotrienol
D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols D018977 - Micronutrients > D014815 - Vitamins
C25-Allenic-apo-aldehyde
C25-epoxy-apo-aldehyde
desmethyl tocotrienol
A tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2.
9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid
(6s)-6-[(1s,3ar,3bs,9ar,9bs,11as)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptan-2-ol
(6z,9z)-20-(5-formyl-1h-pyrrol-2-yl)icosa-6,9-dienenitrile
(3ar,7s,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-11a-methyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol
15-hydroxy-5-methyl-6-[2-methyl-3-(prop-1-en-1-yl)oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
2-[(2e,6e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,6-dien-1-yl]benzene-1,4-diol
methyl 2-[6-(2,4-diethyloct-5-en-1-yl)-4,6-diethyl-1,2-dioxan-3-yl]acetate
(1r,3s,4r,7r,8e,11r,12e)-4-hydroxy-1,4-dimethyl-12-[(3e)-6-methylhepta-3,5-dien-2-ylidene]-6-oxotricyclo[9.3.0.0³,⁷]tetradec-8-ene-8-carbaldehyde
(3s)-3-{2-[(1s,2s,8ar)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl}-4-hydroxybutyl acetate
13-hydroxy-5b,8,8,11a,13a-pentamethyl-5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-cyclopenta[a]chrysen-3-one
methyl 2-[(3s,4s,6r)-6-[(2s,4r,5e)-2,4-diethyloct-5-en-1-yl]-4,6-diethyl-1,2-dioxan-3-yl]acetate
(2z,6e)-8-hydroxy-2-[(4r)-4-[(2s,4r)-4-hydroxy-5,5-dimethyloxolan-2-yl]pentyl]-6-methylocta-2,6-dien-1-yl acetate
(1s,5s,9r,11r)-14-[(2s)-7-hydroxy-6-methylhept-5-en-2-yl]-4-(hydroxymethyl)-8,11-dimethyltetracyclo[9.3.0.0¹,⁵.0⁵,⁹]tetradeca-3,7,13-trien-6-one
(1r,3as,3bs,9ar,9bs,11ar)-9a,11a-dimethyl-1-[(2r,3e)-6-methylhept-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2-[(2e,6e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dien-1-yl]benzene-1,4-diol
(2s)-2-methyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol
1-(4,5-dimethylhex-2-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(6z,11s,19z)-1,14-diazatetracyclo[21.3.1.1¹⁰,¹⁴.0¹¹,²⁵]octacosa-6,19,24-triene
(1s,5r)-5-hydroxy-5-(1-hydroxypentadecyl)-4-oxocyclopent-2-en-1-yl acetate
methyl (2e,6s)-6-[(1s,2s,3s,7s)-6,14-dimethylidenetricyclo[8.4.1.0²,⁷]pentadec-10-en-3-yl]-2-methylhept-2-enoate
(1r,3as,3br,9ar,9bs,11r,11ar)-11-hydroxy-9a,11a-dimethyl-1-[(2r,3e)-5-methylhex-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1's,2s,3s,3'r,5r,7'r,11's)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
1-[(1r,2s)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
3a,5a,5b,8,8,11a-hexamethyl-2h,3h,4h,5h,6h,7h,7ah,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-9-one
1-(2-hydroxy-5-methylhex-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-en-1-yl)-16-oxatetracyclo[9.7.0.0³,⁷.0¹²,¹⁷]octadeca-8,11,17-triene-8-carbaldehyde
4-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN010739","Ingredient_name": "4-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C22H38O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN012603","Ingredient_name": "6-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C22H38O5","Ingredient_Smile": "CCCCCCCCCCCCCCC(C1(C(C=CC1=O)O)O)OC(=O)C","Ingredient_weight": "382.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "431","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11349581","DrugBank_id": "NA"}
